SCHEMBL4459998

SCHEMBL4459998

CN1Cc2cc(-c3cncnc3)ccc2C(c2ccc(F)c(F)c2)C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.65
SLC6A3 Q01959 20/20 0.65
SLC6A4 P31645 18/20 0.65
CYP2D6 P10635 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4458843 0.88 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4465232 0.83 SLC6A4 (0.66) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4303532 0.83 SLC6A2 (0.66) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4307743 0.81 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL5247906 0.80 SLC6A2 (0.78) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4305662 0.80 SLC6A2 (0.69) SLC6A2SLC6A3SLC6A4
SCHEMBL4312542 0.80 SLC6A3 (0.69) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4313119 0.80 SLC6A2 (0.65) SLC6A2SLC6A3SLC6A4
SCHEMBL4301990 0.80 SLC6A3 (0.65) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4304501 0.80 SLC6A2 (0.65) SLC6A2SLC6A3SLC6A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612090-B2 Aryl and heteroaryl substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-03 US disclosed
EP-1246806-B1 ARLY- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR TECHNOLOGY INC (US) 2008-02-27 EP disclosed
US-20060111395-A1 Aryl-and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin AMR TECHNOLOGY, INC. (US) 2006-05-25 US disclosed
US-20060111394-A1 Aryl-and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin ALBANY MOLECULAR RESEARCH, INC. 2006-05-25 US disclosed
US-20030203920-A1 Aryl and heteroaryl substituted tetrahydroisoquinolines and use thereof APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2003-10-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060111394-A1 Aryl-and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, ADRA1B, TPH1 SLC6A2 1/4885SLC6A3 8/4885SLC6A4 19/4885
US-20060111395-A1 Aryl-and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, TPH1, ADRA1B SLC6A2 1/4885SLC6A3 6/4885SLC6A4 17/4885
US-20030203920-A1 Aryl and heteroaryl substituted tetrahydroisoquinolines and use thereof TPH1, TPH2, HTR1A SLC6A2 12/4885SLC6A3 22/4885SLC6A4 27/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.